3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile

C14H21N3OS — CID 103422587

IUPAC3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
SMILESCCC1CCCN(c2sc(C#N)c(N)c2OC)CC1
InChIInChI=1S/C14H21N3OS/c1-3-10-5-4-7-17(8-6-10)14-13(18-2)12(16)11(9-15)19-14/h10H,3-8,16H2,1-2H3
InChIKeyJQJZZCJHMTUDER-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.23
Rot. Bonds3

About 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile

3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile (PubChem CID 103422587) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
PubChem CID103422587
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
SMILESCCC1CCCN(c2sc(C#N)c(N)c2OC)CC1
InChIInChI=1S/C14H21N3OS/c1-3-10-5-4-7-17(8-6-10)14-13(18-2)12(16)11(9-15)19-14/h10H,3-8,16H2,1-2H3
InChIKeyJQJZZCJHMTUDER-UHFFFAOYSA-N
XLogP3.23
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carbonitrile
CID 103507576
4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
CID 103422590
3-amino-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carbonitrile
CID 103421786
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-(4-methylazepan-1-yl)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103422080
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carbonitrile
CID 103420028
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-4-ethylsulfonyl-5-(4-methylazepan-1-yl)thiophene-2-carbonitrile
CID 103422050
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103422654

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile (CID 103422587) is 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile is CCC1CCCN(c2sc(C#N)c(N)c2OC)CC1.
What is the InChIKey of 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile?
The InChIKey is JQJZZCJHMTUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-10-5-4-7-17(8-6-10)14-13(18-2)12(16)11(9-15)19-14/h10H,3-8,16H2,1-2H3.
What are the key properties of 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile?
3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile has a molecular weight of 279.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile is sourced from PubChem (CID 103422587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).